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. 2024 Feb 13;9(Pt 2):x240137. doi: 10.1107/S2414314624001378

Table 2. Experimental details.

Crystal data
Chemical formula C30H25NO
M r 415.51
Crystal system, space group Orthorhombic, Fdd2
Temperature (K) 150
a, b, c (Å) 27.8745 (9), 83.475 (3), 7.5368 (2)
V3) 17536.7 (10)
Z 32
Radiation type Cu Kα
μ (mm−1) 0.58
Crystal size (mm) 0.33 × 0.13 × 0.06
 
Data collection
Diffractometer Bruker D8 VENTURE
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
Tmin, Tmax 0.833, 0.968
No. of measured, independent and observed [I > 2σ(I)] reflections 48787, 7883, 7093
R int 0.039
(sin θ/λ)max−1) 0.618
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.032, 0.088, 1.05
No. of reflections 7883
No. of parameters 583
No. of restraints 1
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.14, −0.12
Absolute structure Flack x determined using 2576 quotients [(I+)−(I)]/[(I+)+(I)] (Parsons et al., 2013)
Absolute structure parameter 0.05 (11)

Computer programs: APEX2 and SAINT (Bruker, 2014), SHELXS97 and SHELXTL (Sheldrick 2008) and SHELXL2014/7 (Sheldrick, 2015).